| In ZINC since | Heavy atoms | Benign functionality |
|---|---|---|
| December 30th, 2009 | 37 | No |
| Type pH range | xlogP | Des A‑Pol Apolar desolvation (kcal/mol) | Des Pol Polar desolvation (kcal/mol) | H Don H-bond donors | H Acc H-bond acceptors | Chg Net charge | tPSA (Ų) | MWT Molecular weight (g/mol) | RB Rotatable bonds | DL |
|---|---|---|---|---|---|---|---|---|---|---|
| Ref Reference (pH 7) | -1.16 | 3.35 | -67.43 | 4 | 14 | -1 | 207 | 541.551 | 6 | ↓ |
| Hi High (pH 8-9.5) | -1.16 | 6.54 | -133.44 | 3 | 14 | -2 | 210 | 540.543 | 6 | ↓ |
| Hi High (pH 8-9.5) | -1.16 | 4.36 | -126.53 | 3 | 14 | -2 | 210 | 540.543 | 6 | ↓ |
No pre-computed analogs available. Try a structural similarity search.
![5-thia-1-azabicyclo[4.2.0]oct-2-en-8-one](http://zinc12.docking.org/img/rings/13223.gif)
![2-imino-N-[8-keto-3-[(2-keto-1-pyrazin-2-yl-pyrrolidin-3-ylidene)methyl]-5-thia-1-azabicyclo[4.2.0]oct-2-en-7-yl]-2-thiazol-4-yl-acetamide](http://zinc12.docking.org/img/rings/590097.gif)